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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:07:42 UTC
Update Date2025-03-24 20:37:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01508143
Frequency0.8
Structure
Chemical FormulaC5H9NO
Molecular Mass99.0684
SMILES[O-][N+]1=CCCCC1
InChI KeyKHUGGXKSRHFUAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • hydrocarbon derivatives
  • nitrones
  • organic oxides
  • organic oxoanionic compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • allyl-type 1,3-dipolar organic compound
  • tetrahydropyridine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic hyponitrite
  • nitrone